2D1E

Crystal structure of PcyA-biliverdin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	70.826, 94.997, 42.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.670 - 1.510
R-factor	0.158
Rwork	0.157
R-free	0.18300
Structure solution method	MIRAS
RMSD bond length	0.017
RMSD bond angle	1.704
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.560
High resolution limit [Å]	1.510	1.510
Rmerge	0.078	0.335
Number of reflections	45715
Completeness [%]	99.6	98
Redundancy	7.8	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	ammonium sulfate, sodium cacodylate, sodium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	ammonium sulfate, sodium cacodylate, sodium chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K